HRID690350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID43106828

未命名化合物

结构：CC(n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O)C(C)(C)O

HCID67337684

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C(C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(C(C)C(C)(C)O)c2)n1

HCID75170020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7945f6538a74857b84bab4272fdc5b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:27][c:28]1[n:29][o:30][c:31]([CH:33]([CH3:34])[NH2:35])[n:32]1.[CH3:50][N:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl-:2].[ClH:26].[F:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([C:23](=[O:24])[OH:25])[cH:13][n:14]([CH:17]([CH3:18])[C:19]([CH3:20])([CH3:21])[OH:22])[c:15]2=[O:16])[cH:8][cH:9]1.[Na+:1].[OH2:62].[OH:40][n:41]1[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[F:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([C:23](=[O:25])[NH:35][CH:33]([c:31]3[o:30][n:29][c:28]([CH3:27])[n:32]3)[CH3:34])[cH:13][n:14]([CH:17]([CH3:18])[C:19]([CH3:20])([CH3:21])[OH:22])[c:15]2=[O:16])[cH:8][cH:9]1